6HKB
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-11 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.234, 112.394, 62.439 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.340 - 1.700 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.370 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.084 | 0.212 |
Number of reflections | 32176 | 1681 |
<I/σ(I)> | 15.4 | 7.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.7 | 4.6 |
CC(1/2) | 0.995 | 0.967 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 278 | 0.095M Hepes, 0.19M CaCl2, 5% glycerol, 26% PEG400 |